| General Property |
| Molceule ID (DB) | EGIN0003360 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 31 compound |
| IUPAC Name | (2E)-N-(4-{[4-(benzylamino)-3-chlorophenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide |
| Formula | C31H31ClN6O2 |
| Mass | 555.07 |
| Exact Mass | 554.219702 |
| Composition | C (67.08%), H (5.63%), Cl (6.39%), N (15.14%), O (5.76%) |
| Atom Count | 71 |
| PI | 10.67 |
| Smiles | c12c(c(C#N)cnc1cc(c(c2)NC(=O)/C=C/CN(C)C)OCC)Nc1cc(c(NCc2ccccc2)cc1)Cl |
| InChI | 1S/C31H31ClN6O2/c1-4-40-29-17-27-24(16-28(29)37-30(39)11-8-14-38(2)3)31(22(18-33)20-35-27)36-23-12-1
3-26(25(32)15-23)34-19-21-9-6-5-7-10-21/h5-13,15-17,20,34H,4,14,19H2,1-3H3,(H,35,36)(H,37,39)/b11-8+ |
| InChIKey | FDLNUHGKXIYPDA-DHZHZOJOSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| View Structure in Jmol | Click to view 3 d structure Download Mol File |
| Drug Like Property | Druglikeliness |
| Symmetry & Geometry | Symmetry And Geometrical Information |
| Activity & Binding | Activity against isoform and covalant binding information |
| Topological Properties | Descriptors |
| Reference | 15715478 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | No activity data against other kinases present in database |
| Pub Chem Link |
11489786
|
| Drug Bank Link | - |
| ChemSpider Link | 9664598 |
| ChEMBL Link | CHEMBL179577 |
